In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 29 | Yes |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 4.45 | 13.69 | -51.14 | 1 | 5 | 1 | 49 | 414.595 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.45 | 11.57 | -13.66 | 0 | 5 | 0 | 47 | 413.587 | 9 | ↓ |